(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid

C12H21N3O6 — CID 107840822

IUPAC(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCC(C)NC(=O)C1COCCN1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-7(2)14-10(17)8-6-21-4-3-15(8)12(20)13-5-9(16)11(18)19/h7-9,16H,3-6H2,1-2H3,(H,13,20)(H,14,17)(H,18,19)/t8?,9-/m0/s1
InChIKeyZZHOZRXAMYTNET-GKAPJAKFSA-N
MW303.31 g/mol
LogP-1.63
Rot. Bonds5

About (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid (PubChem CID 107840822) has the molecular formula C12H21N3O6 and a molecular weight of 303.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
PubChem CID107840822
Molecular FormulaC12H21N3O6
Molecular Weight303.31 g/mol
Exact Mass303.14
IUPAC Name(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCC(C)NC(=O)C1COCCN1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-7(2)14-10(17)8-6-21-4-3-15(8)12(20)13-5-9(16)11(18)19/h7-9,16H,3-6H2,1-2H3,(H,13,20)(H,14,17)(H,18,19)/t8?,9-/m0/s1
InChIKeyZZHOZRXAMYTNET-GKAPJAKFSA-N
XLogP-1.63
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043
4-[3-(ethylamino)-2-methylpropanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098665
3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid
CID 106110427
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid (CID 107840822) is (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid is CC(C)NC(=O)C1COCCN1C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The InChIKey is ZZHOZRXAMYTNET-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-7(2)14-10(17)8-6-21-4-3-15(8)12(20)13-5-9(16)11(18)19/h7-9,16H,3-6H2,1-2H3,(H,13,20)(H,14,17)(H,18,19)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid has a molecular weight of 303.31 g/mol, XLogP of -1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 107840822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).